N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide

C16H15F2NO2S — CID 2995782

IUPACN-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccccc2OC(F)F)cc1
InChIInChI=1S/C16H15F2NO2S/c1-11-6-8-12(9-7-11)22-10-15(20)19-13-4-2-3-5-14(13)21-16(17)18/h2-9,16H,10H2,1H3,(H,19,20)
InChIKeyDUWPCKAVOVJNAY-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.33
Rot. Bonds6

About N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide

N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 2995782) has the molecular formula C16H15F2NO2S and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID2995782
Molecular FormulaC16H15F2NO2S
Molecular Weight323.36 g/mol
Exact Mass323.08
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccccc2OC(F)F)cc1
InChIInChI=1S/C16H15F2NO2S/c1-11-6-8-12(9-7-11)22-10-15(20)19-13-4-2-3-5-14(13)21-16(17)18/h2-9,16H,10H2,1H3,(H,19,20)
InChIKeyDUWPCKAVOVJNAY-UHFFFAOYSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2994410
N-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591520
2-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]sulfanylbenzoic acid
CID 5019415
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 2603803
2-(4-methoxyphenyl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
CID 39498329
N-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 46763178
N-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 38131882
3-(4-bromophenyl)sulfanyl-N-[2-(difluoromethoxy)phenyl]propanamide
CID 60564287
N-[2-(difluoromethoxy)phenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2478888
N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide
CID 974708
2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27015578
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyanilino)acetamide
CID 9102233

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide (CID 2995782) is N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2ccccc2OC(F)F)cc1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is DUWPCKAVOVJNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2S/c1-11-6-8-12(9-7-11)22-10-15(20)19-13-4-2-3-5-14(13)21-16(17)18/h2-9,16H,10H2,1H3,(H,19,20).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide?
N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 323.36 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 2995782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).